Sometimes
the Chemcraft users ask me to implement a GUI for creating input files.
GaussView has such a GUI.
I don’t
plan to implement such a GUI in Chemcraft, because I never had the need to use
it in my research work. To create input files for new jobs, I use my archive of
computed jobs; when I need to create a new input file, I take an input file
from this archive and modify it.
You can
download such an archive here:
This archive
contains more than 150 jobs (both input and output files) with different types
of computation. Besides these files, the archive contains text files with
comments. It also contains some examples of interesting computations with
comments, which illustrate the use of quantum chemistry.
This
archive is protected with password; to get the password, you need to purchase
Chemcraft (the password will be shown in the “Help/License information”
window).
I think
that implementing a GUI for creating input files can be even harmful, because
it will give you a false feeling of easy creation of new jobs; but when you
need to create a non-standard job (e.g., a PES scan), this GUI will become useless.
I wrote this statement in our Facebook group, and
two persons fully agreed with my conclusion (none disagreed).